Uisge Beatha: Water of Life or Watered Down? Multivariate Methods for Whisky Class Differentiation
Introduction
In this slide we’ll discuss why were doing what were doing; we want to confirm this novel method of XTRF analysis in detecting counterfeits and whisky provenance using multivariate analysis
| Sample_no |
Descriptor |
Distillery |
P |
S |
Cl |
K |
Ca |
Mn |
Fe |
Cu |
Zn |
Br |
Rb |
| 1 |
Blend |
Baile Nicol Jarvie |
0.152 |
1.100 |
0.173 |
7.860 |
1.450 |
0.032 |
0.027 |
0.186 |
0.015 |
0.002 |
0.006 |
| 2a |
Blend |
Bells |
0.653 |
1.580 |
0.238 |
4.930 |
1.400 |
0.019 |
0.110 |
0.242 |
0.021 |
0.005 |
0.003 |
| 3a |
Blend |
Chivas |
0.375 |
0.809 |
0.193 |
4.310 |
1.220 |
0.019 |
0.044 |
0.196 |
0.007 |
0.003 |
0.002 |
| 4a |
Blend |
Dewars |
0.121 |
1.160 |
0.157 |
3.200 |
1.140 |
0.011 |
0.050 |
0.189 |
0.018 |
0.003 |
0.003 |
| 5a |
Blend |
Johnnie Walker |
0.326 |
1.090 |
0.180 |
5.480 |
0.526 |
0.018 |
0.103 |
0.286 |
0.020 |
0.002 |
0.002 |
| 6a |
Blend |
The Famous Grouse |
0.145 |
0.615 |
0.097 |
2.740 |
0.416 |
0.009 |
0.050 |
0.208 |
0.007 |
0.002 |
0.001 |
| 7a |
Blend |
Whyte and Mackay |
0.067 |
0.576 |
0.151 |
2.360 |
0.745 |
0.012 |
0.047 |
0.159 |
0.019 |
0.003 |
0.002 |
| 8a |
Blend |
William Grant |
0.239 |
0.748 |
0.147 |
2.840 |
0.976 |
0.010 |
0.021 |
0.137 |
0.020 |
0.003 |
0.002 |
| 9a |
Counterfeit |
Unknown 1 |
0.089 |
4.060 |
0.066 |
0.336 |
1.240 |
0.007 |
0.154 |
0.085 |
0.038 |
0.005 |
0.001 |
| 10a |
Counterfeit |
Unknown 2 |
0.088 |
14.700 |
0.072 |
1.230 |
1.400 |
0.006 |
0.025 |
0.052 |
0.018 |
0.004 |
0.001 |
| 11a |
Counterfeit |
Unknown 3 |
0.279 |
15.900 |
0.083 |
0.811 |
1.360 |
0.006 |
0.057 |
0.038 |
0.016 |
0.002 |
0.002 |
| 12a |
Counterfeit |
Unknown 4 |
0.320 |
22.100 |
0.596 |
2.320 |
1.780 |
0.008 |
0.019 |
0.038 |
0.015 |
0.068 |
0.001 |
| 13a |
Counterfeit |
Unknown 5 |
0.120 |
26.100 |
0.071 |
2.370 |
1.630 |
0.010 |
0.082 |
0.187 |
0.194 |
0.012 |
0.005 |
| 14a |
Grain |
Grain matured |
0.034 |
2.230 |
0.252 |
6.440 |
1.040 |
0.013 |
0.115 |
0.174 |
0.019 |
0.004 |
0.006 |
| 15a |
Grain |
Grain unmatured |
0.084 |
5.530 |
0.113 |
3.250 |
1.350 |
0.012 |
0.076 |
0.164 |
0.046 |
0.010 |
0.003 |
| 16 |
Highland |
Glengoyne |
1.040 |
5.570 |
0.343 |
24.200 |
0.857 |
0.023 |
0.197 |
1.251 |
0.041 |
0.004 |
0.016 |
| 17 |
Highland |
Glenmorangie |
0.126 |
0.796 |
0.245 |
6.950 |
0.859 |
0.035 |
0.025 |
0.523 |
0.011 |
0.003 |
0.006 |
| 18a |
Island |
Bowmore |
0.914 |
6.670 |
0.316 |
21.100 |
0.868 |
0.037 |
0.148 |
0.548 |
0.032 |
0.007 |
0.018 |
| 19 |
Island |
Bruichladdie |
1.630 |
5.480 |
0.697 |
36.500 |
4.130 |
0.038 |
0.288 |
0.587 |
0.066 |
0.034 |
0.039 |
| 20a |
Island |
Bunnahabhain |
2.240 |
7.540 |
1.350 |
36.200 |
2.120 |
0.051 |
0.184 |
0.580 |
0.057 |
0.014 |
0.037 |
| 21 |
Island |
Talisker |
0.034 |
4.850 |
0.362 |
5.670 |
0.607 |
0.018 |
0.070 |
0.277 |
0.033 |
0.003 |
0.006 |
| 22a |
Lowland |
Auchentoshan |
0.169 |
1.460 |
0.417 |
11.700 |
0.681 |
0.042 |
0.128 |
1.320 |
0.037 |
0.006 |
0.012 |
| 23a |
Lowland |
Glenkinchie |
0.108 |
2.450 |
0.176 |
7.760 |
0.738 |
0.031 |
0.106 |
0.434 |
0.022 |
0.002 |
0.007 |
| 24 |
Speyside |
Balvenie |
0.695 |
3.850 |
0.120 |
20.300 |
0.765 |
0.031 |
0.121 |
0.380 |
0.035 |
0.005 |
0.024 |
| 25 |
Speyside |
Craigellachie |
0.096 |
0.819 |
0.177 |
6.110 |
0.633 |
0.024 |
0.094 |
0.239 |
0.025 |
0.005 |
0.006 |
| 26 |
Speyside |
Dufftown |
0.883 |
4.640 |
0.130 |
14.000 |
1.050 |
0.030 |
0.078 |
0.533 |
0.024 |
0.002 |
0.014 |
| 27 |
Speyside |
Glen Elgin |
0.115 |
1.350 |
0.404 |
9.270 |
1.400 |
0.031 |
0.046 |
0.195 |
0.029 |
0.006 |
0.009 |
| 28 |
Speyside |
Glenburgie |
2.000 |
7.910 |
0.185 |
37.700 |
1.650 |
0.053 |
0.134 |
0.198 |
0.043 |
0.008 |
0.026 |
| 29 |
Speyside |
Glennfiddich |
0.317 |
2.720 |
0.344 |
12.400 |
0.660 |
0.029 |
0.132 |
0.519 |
0.193 |
0.004 |
0.013 |
| 30 |
Speyside |
Glenrothes |
0.953 |
4.110 |
0.399 |
16.700 |
1.830 |
0.041 |
0.137 |
1.030 |
0.029 |
0.007 |
0.014 |
| 31 |
Speyside |
Knockando |
0.051 |
1.030 |
0.191 |
5.140 |
0.605 |
0.017 |
0.094 |
0.432 |
0.020 |
0.008 |
0.005 |
| 32 |
Speyside |
Linkwood |
0.276 |
1.050 |
0.207 |
6.220 |
1.010 |
0.020 |
0.064 |
0.769 |
0.019 |
0.004 |
0.006 |
Initial viewing:
Assesment Mahalanobis Distribution
| Distance Category |
Count/HZ |
%/P-val |
| Bottom_50% |
22.000 |
68.8 |
| 50-75% |
2.000 |
6.2 |
| 75-90% |
0.000 |
0 |
| 90-95% |
1.000 |
3.1 |
| 95-99% |
4.000 |
12.5 |
| Top_1% |
3.000 |
9.4 |
| Henze-Zirkler Test |
1.325 |
<0.001 |
Post log-transformation
Structure examination
| Comparison |
T² Statistic |
P-value |
| Counterfeit vs Speyside |
7,083.10 |
0.009 |
| Blend vs Speyside |
213.48 |
0.026 |
| Counterfeit vs Blend |
928,150.00 |
0.009 |
| Island vs Speyside |
171.63 |
0.581 |
Differentiation within the PCA Space